CID 10931962

4-methoxy-3-indolylmethylamine

Structural Information

Molecular Formula
C10H12N2O
SMILES
COC1=CC=CC2=C1C(=CN2)CN
InChI
InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3
InChIKey
YKDYCKHEKOEVJM-UHFFFAOYSA-N
Compound name
(4-methoxy-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

176.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 135.2
[M+Na]+ 199.084178 145.2
[M-H]- 175.087684 137.5
[M+NH4]+ 194.128783 156.3
[M+K]+ 215.058118 141.3
[M+H-H2O]+ 159.092220 129.1
[M+HCOO]- 221.093161 159.4
[M+CH3COO]- 235.108811 180.0
[M+Na-2H]- 197.069626 142.1
[M]+ 176.09441142 135.7
[M]- 176.09550858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe